Yanhua Bo, Ziming Zhang, Jiyuan Fang, Yong Du, Zhi Hong
{"title":"Cocrystal Formation between Isoniazid and Protocatechuic Acid Based on Terahertz Spectroscopy and DFT Simulation","authors":"Yanhua Bo, Ziming Zhang, Jiyuan Fang, Yong Du, Zhi Hong","doi":"10.1109/IRMMW-THz46771.2020.9370521","DOIUrl":null,"url":null,"abstract":"The cocrystal of isoniazid and protocatechuic acid under slow solvent evaporation condition has been characterized by terahertz spectroscopic technique. We used DFT to calculate the THz absorption spectrum of the cocrystal, which is consistent with the experimental results. And vibrational modes of the cocrystal between isoniazid and protocatechuic acid were assigned.","PeriodicalId":6746,"journal":{"name":"2020 45th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz)","volume":"57 1","pages":"1-2"},"PeriodicalIF":0.0000,"publicationDate":"2020-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"2020 45th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/IRMMW-THz46771.2020.9370521","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
The cocrystal of isoniazid and protocatechuic acid under slow solvent evaporation condition has been characterized by terahertz spectroscopic technique. We used DFT to calculate the THz absorption spectrum of the cocrystal, which is consistent with the experimental results. And vibrational modes of the cocrystal between isoniazid and protocatechuic acid were assigned.
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